4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid

Systemtic Name: 4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(1-piperidylmethyl)-2-thienyl]benzoic acid CAS Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-piperidinylmethyl)-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(piperidinomethyl)-2-thienyl]benzoic acid Formula: C29H33NO4S MolecularWeight: 491.64162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CN4CCCCC4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CN4CCCCC4)OC5CCCC5

InChI

InChI=1S/C29H33NO4S/c1-33-25-14-13-22(17-26(25)34-24-7-3-4-8-24)27-18-23(19-30-15-5-2-6-16-30)28(35-27)20-9-11-21(12-10-20)29(31)32/h9-14,17-18,24H,2-8,15-16,19H2,1H3,(H,31,32)